1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine

C13H25N5O2S — CID 138044224

IUPAC1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine
SMILESCC(C1CC1)N(C)S(=O)(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H25N5O2S/c1-10(2)18-9-14-15-13(18)8-16(4)21(19,20)17(5)11(3)12-6-7-12/h9-12H,6-8H2,1-5H3
InChIKeyXZXCPLQROATXGI-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.27
Rot. Bonds7

About 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine

1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine (PubChem CID 138044224) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine
PubChem CID138044224
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine
SMILESCC(C1CC1)N(C)S(=O)(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H25N5O2S/c1-10(2)18-9-14-15-13(18)8-16(4)21(19,20)17(5)11(3)12-6-7-12/h9-12H,6-8H2,1-5H3
InChIKeyXZXCPLQROATXGI-UHFFFAOYSA-N
XLogP1.27
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine (CID 138044224) is 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine is CC(C1CC1)N(C)S(=O)(=O)N(C)Cc1nncn1C(C)C.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine?
The InChIKey is XZXCPLQROATXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-10(2)18-9-14-15-13(18)8-16(4)21(19,20)17(5)11(3)12-6-7-12/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine?
1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine is sourced from PubChem (CID 138044224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).